| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 4 |
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| Ligand | BDBM11639 |
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| Substrate/Competitor | BDBM11326 |
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| Meas. Tech. | Carbonic Anhydrase Enzyme Inhibition Assay |
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| pH | 7.4±n/a |
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| Temperature | 298.15±n/a K |
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| IC50 | 290±n/a nM |
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| Citation |  Weber, A; Casini, A; Heine, A; Kuhn, D; Supuran, CT; Scozzafava, A; Klebe, G Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J Med Chem47:550-7 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Carbonic anhydrase 4 |
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| Name: | Carbonic anhydrase 4 |
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| Synonyms: | CA-IV | CA4 | CAH4_BOVIN | Carbonate dehydratase IV | Carbonic Anhydrase IV | Carbonic anhydrase | Carbonic anhydrase 4 |
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| Type: | Enzyme |
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| Mol. Mass.: | 35152.74 |
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| Organism: | Bos taurus (bovine) |
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| Description: | Bovine isozyme, isolated from lung microsomes |
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| Residue: | 312 |
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| Sequence: | MRLLLALLVLAAAPPQARAASHWCYQIQVKPSNYTCLEPDEWEGSCQNNRQSPVNIVTAK
TQLDPNLGRFSFSGYNMKHQWVVQNNGHTVMVLLENKPSIAGGGLSTRYQATQLHLHWSR
AMDRGSEHSFDGERFAMEMHIVHEKEKGLSGNASQNQFAEDEIAVLAFMVEDGSKNVNFQ
PLVEALSDIPRPNMNTTMKEGVSLFDLLPEEESLRHYFRYLGSLTTPTCDEKVVWTVFQK
PIQLHRDQILAFSQKLFYDDQQKVNMTDNVRPVQSLGQRQVFRSGAPGLLLAQPLPTLLA
PVLACLTVGFLR
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| BDBM11639 |
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| BDBM11326 |
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| Name | BDBM11639 |
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| Synonyms: | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US10322118, Urea-Based Scaffold Entry 9 | US11478464, Compound Celecoxib | US11786535, Compound Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H14F3N3O2S |
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| Mol. Mass. | 381.372 |
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| SMILES | Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |
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| Structure | 
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